2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol

C20H21NO — CID 13383584

IUPAC2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol
SMILESOC1C2CCCC1C(c1ccccc1)N=C2c1ccccc1
InChIInChI=1S/C20H21NO/c22-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)21-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-18,20,22H,7,12-13H2
InChIKeyPYOKWMKWJSDXJE-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.01
Rot. Bonds2

About 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol

2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol (PubChem CID 13383584) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol.

Molecular Properties

Compound Name2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol
PubChem CID13383584
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol
SMILESOC1C2CCCC1C(c1ccccc1)N=C2c1ccccc1
InChIInChI=1S/C20H21NO/c22-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)21-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-18,20,22H,7,12-13H2
InChIKeyPYOKWMKWJSDXJE-UHFFFAOYSA-N
XLogP4.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol?
The IUPAC name of 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol (CID 13383584) is 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol.
What is the SMILES notation for 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol?
The canonical SMILES for 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol is OC1C2CCCC1C(c1ccccc1)N=C2c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol?
The InChIKey is PYOKWMKWJSDXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)21-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-18,20,22H,7,12-13H2.
What are the key properties of 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol?
2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol has a molecular weight of 291.39 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-azabicyclo[3.3.1]non-2-en-9-ol is sourced from PubChem (CID 13383584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).